ethyl 5-(4-benzoylphenyl)-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxylate

C22H19N3O4 — CID 170713520

IUPACethyl 5-(4-benzoylphenyl)-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxylate
SMILESCCOC(=O)c1cnn2c1C(=O)N(c1ccc(C(=O)c3ccccc3)cc1)CC2
InChIInChI=1S/C22H19N3O4/c1-2-29-22(28)18-14-23-25-13-12-24(21(27)19(18)25)17-10-8-16(9-11-17)20(26)15-6-4-3-5-7-15/h3-11,14H,2,12-13H2,1H3
InChIKeyPAMWSOYNVMNKAK-UHFFFAOYSA-N
MW389.41 g/mol
LogP2.95
Rot. Bonds5

About ethyl 5-(4-benzoylphenyl)-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxylate

ethyl 5-(4-benzoylphenyl)-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxylate (PubChem CID 170713520) has the molecular formula C22H19N3O4 and a molecular weight of 389.41 g/mol. Its IUPAC name is ethyl 5-(4-benzoylphenyl)-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-(4-benzoylphenyl)-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxylate
PubChem CID170713520
Molecular FormulaC22H19N3O4
Molecular Weight389.41 g/mol
Exact Mass389.14
IUPAC Nameethyl 5-(4-benzoylphenyl)-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxylate
SMILESCCOC(=O)c1cnn2c1C(=O)N(c1ccc(C(=O)c3ccccc3)cc1)CC2
InChIInChI=1S/C22H19N3O4/c1-2-29-22(28)18-14-23-25-13-12-24(21(27)19(18)25)17-10-8-16(9-11-17)20(26)15-6-4-3-5-7-15/h3-11,14H,2,12-13H2,1H3
InChIKeyPAMWSOYNVMNKAK-UHFFFAOYSA-N
XLogP2.95
TPSA81.50 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.41
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl (6S)-5-[4-(4-methoxybenzoyl)phenyl]-6-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxylate
CID 170713417
ethyl (6S)-5-(4-bromophenyl)-6-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxylate
CID 170713407
ethyl 7-oxo-1,6-diphenyl-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxylate
CID 11566693
ethyl 7-oxo-1-phenyl-2,3-dihydroimidazo[1,2-a]pyrimidine-6-carboxylate
CID 11781096
ethyl (6S)-6-methyl-4-oxo-5-[4-(trifluoromethoxy)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxylate
CID 170713183
ethyl 4-[4-(4-benzoylphenyl)phenyl]benzoate
CID 59266192
ethyl 2-benzoylcyclopropene-1-carboxylate
CID 102131953
ethyl 5-amino-1-(4-carbamoylphenyl)pyrazole-4-carboxylate
CID 82365389
ethyl 1-(4-nitrosophenyl)-5-phenylpyrazole-4-carboxylate
CID 89330391
diethyl 2-phenoxybenzene-1,4-dicarboxylate;diphenylmethanone
CID 174910592
ethyl 5-amino-1-[4-(1-phenylethylcarbamoyl)phenyl]pyrazole-4-carboxylate
CID 46363371
ethyl 5-amino-1-benzylpyrazole-4-carboxylate
CID 785810

Frequently Asked Questions

What is the IUPAC name of ethyl 5-(4-benzoylphenyl)-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxylate?
The IUPAC name of ethyl 5-(4-benzoylphenyl)-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxylate (CID 170713520) is ethyl 5-(4-benzoylphenyl)-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxylate.
What is the SMILES notation for ethyl 5-(4-benzoylphenyl)-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxylate?
The canonical SMILES for ethyl 5-(4-benzoylphenyl)-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxylate is CCOC(=O)c1cnn2c1C(=O)N(c1ccc(C(=O)c3ccccc3)cc1)CC2.
What is the InChIKey of ethyl 5-(4-benzoylphenyl)-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxylate?
The InChIKey is PAMWSOYNVMNKAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O4/c1-2-29-22(28)18-14-23-25-13-12-24(21(27)19(18)25)17-10-8-16(9-11-17)20(26)15-6-4-3-5-7-15/h3-11,14H,2,12-13H2,1H3.
What are the key properties of ethyl 5-(4-benzoylphenyl)-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxylate?
ethyl 5-(4-benzoylphenyl)-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxylate has a molecular weight of 389.41 g/mol, XLogP of 2.95, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(4-benzoylphenyl)-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxylate is sourced from PubChem (CID 170713520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).